Re: [AMBER] how can i use acpype

From: Yaser Hosseini <yaser790.yahoo.com>
Date: Thu, 18 Dec 2014 18:39:06 +0000 (UTC)

thank you dear David for reply but i want a simple tutorial for install this package im new in ubuntu and gromacs.if you know a simple tutorial can give me e link ?
thanks a lot.
 

     On Thursday, December 18, 2014 9:20 PM, David A Case <case.biomaps.rutgers.edu> wrote:
   

 On Thu, Dec 18, 2014, yaser wrote:
>
> i want use the amber force field and its need acpype but i got error :
>
> acpype -i ref-ligandChimera.mol2 -c user
> ERROR: no 'antechamber' executable!
> ERROR: no 'antechamber' executable... aborting !
> ==> HINT1: is 'AMBERHOME' or 'ACHOME' environment variable set?
> ==> HINT2: is 'antechamber' in your $PATH?

You need to download AmberTools from http://ambermd.org, and install it,
following the instructions in the Amber14 Reference Manual.

...good luck...dac


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Received on Thu Dec 18 2014 - 11:00:03 PST
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